CID 24847108

1,3,8-triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-8-(4-phenylbut-3-ynyl)-

Structural Information

Molecular Formula
C24H27N3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC#CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O/c1-25-20-27(22-13-6-3-7-14-22)24(23(25)28)15-18-26(19-16-24)17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-14H,9,15-20H2,1H3
InChIKey
VSSWKFGSRYTPFO-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-8-(4-phenylbut-3-ynyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.222696 193.0
[M+Na]+ 396.204638 200.9
[M-H]- 372.208144 195.6
[M+NH4]+ 391.249243 202.3
[M+K]+ 412.178578 189.2
[M+H-H2O]+ 356.212680 174.4
[M+HCOO]- 418.213621 201.1
[M+CH3COO]- 432.229271 198.7
[M+Na-2H]- 394.190086 190.4
[M]+ 373.21487142 181.8
[M]- 373.21596858 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.